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Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation.

Research paper by Mallory M Alemi, Roger F RF Loring

Indexed on: 08 Jun '15Published on: 08 Jun '15Published in: The Journal of chemical physics



Abstract

The optimized mean-trajectory (OMT) approximation is a semiclassical method for computing vibrational response functions from action-quantized classical trajectories connected by discrete transitions that represent radiation-matter interactions. Here, we extend the OMT to include additional vibrational coherence and energy transfer processes. This generalized approximation is applied to a pair of anharmonic chromophores coupled to a bath. The resulting 2D spectra are shown to reflect coherence transfer between normal modes.